N-(4-bromo-3-methylphenyl)-2-[rel-(5R,7S)-3-(5-methyl-2H-tetrazol-2-yl)adamantan-1-yl]acetamide
Chemical Structure Depiction of
N-(4-bromo-3-methylphenyl)-2-[rel-(5R,7S)-3-(5-methyl-2H-tetrazol-2-yl)adamantan-1-yl]acetamide
N-(4-bromo-3-methylphenyl)-2-[rel-(5R,7S)-3-(5-methyl-2H-tetrazol-2-yl)adamantan-1-yl]acetamide
Compound characteristics
| Compound ID: | C301-1299 |
| Compound Name: | N-(4-bromo-3-methylphenyl)-2-[rel-(5R,7S)-3-(5-methyl-2H-tetrazol-2-yl)adamantan-1-yl]acetamide |
| Molecular Weight: | 444.37 |
| Molecular Formula: | C21 H26 Br N5 O |
| Smiles: | [H][C@]12CC3(CC(Nc4ccc(c(C)c4)[Br])=O)CC(C1)(C[C@@]([H])(C3)C2)n1nc(C)nn1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.5669 |
| logD: | 4.5666 |
| logSw: | -4.4383 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.325 |
| InChI Key: | IESAGEWJGQEHQF-AJHHTPGJSA-N |